2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid

C27H34N2O6 — CID 165485685

IUPAC2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid
SMILESCCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CC)(COC)C(=O)O
InChIInChI=1S/C27H34N2O6/c1-5-26(3,23(30)29-27(6-2,17-34-4)24(31)32)16-28-25(33)35-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22H,5-6,15-17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyFXTXWYATQYHKBX-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.94
Rot. Bonds11

About 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid

2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid (PubChem CID 165485685) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid.

Molecular Properties

Compound Name2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid
PubChem CID165485685
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid
SMILESCCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CC)(COC)C(=O)O
InChIInChI=1S/C27H34N2O6/c1-5-26(3,23(30)29-27(6-2,17-34-4)24(31)32)16-28-25(33)35-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22H,5-6,15-17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyFXTXWYATQYHKBX-UHFFFAOYSA-N
XLogP3.94
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid with MolForge

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Related Compounds

5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(methoxymethyl)butanoyl]amino]-4-methylpentanoic acid
CID 165467127
2-ethyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid
CID 103663910
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
2-[1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]piperidin-2-yl]acetic acid
CID 165446924
2-[[[(2S,3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxolane-2-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 178193369
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193521
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178192312
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
9H-fluoren-9-ylmethyl N-(1-fluoro-2-methyl-1-oxobutan-2-yl)carbamate
CID 10315254
(3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dimethylpentanoic acid
CID 155270949

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid?
The IUPAC name of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid (CID 165485685) is 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid.
What is the SMILES notation for 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid?
The canonical SMILES for 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid is CCC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CC)(COC)C(=O)O.
What is the InChIKey of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid?
The InChIKey is FXTXWYATQYHKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-5-26(3,23(30)29-27(6-2,17-34-4)24(31)32)16-28-25(33)35-15-22-20-13-9-7-11-18(20)19-12-8-10-14-21(19)22/h7-14,22H,5-6,15-17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32).
What are the key properties of 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid?
2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid has a molecular weight of 482.58 g/mol, XLogP of 3.94, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylbutanoyl]amino]-2-(methoxymethyl)butanoic acid is sourced from PubChem (CID 165485685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).